Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.1310 0.4919 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9201 -0.4222 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2793 -0.7112 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9504 -0.4307 -0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9218 0.2202 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7673 0.6305 1.0325 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2196 0.4356 -0.6655 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6983 0.3971 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8007 1.5337 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7496 0.2452 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3225 0.0396 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 -1.3953 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9281 -1.2174 -1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3193 -0.7120 -1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9396 0.8950 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers